First principles investigation of the stability and the chemical behavior of hydrogen in ThCoH<sub>4</sub>
Language
en
Article de revue
This item was published in
Zeitschrift fur Naturforschung B. 2011, vol. 66, n° 3, p. 269-274
Verlag der Zeitschrift Fuer Naturforschung
English Abstract
We address the changes in the electronic structure brought by the insertion of hydrogen into ThCo leading to the experimentally observed ThCoH<sub>4</sub>. Full geometry optimization positions the hydrogen in three sites ...Read more >
We address the changes in the electronic structure brought by the insertion of hydrogen into ThCo leading to the experimentally observed ThCoH<sub>4</sub>. Full geometry optimization positions the hydrogen in three sites stabilized in the expanded intermetallic matrix...Read less <
Origin
Hal imported